4-acetoxy-3-methoxy Methyl Benzoate (C11 H12 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 224.20998
This is of the category: Monomers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.61 | 1 |
| C3 | AOMe | 52.26 | 1 |
| C2 | OMe | 56.07 | 1 |
| C6 | 2 | 113.44 | 1 |
| C4 | 6 | 122.60 | 1 |
| C5 | 5 | 122.78 | 1 |
| C8 | 1 | 128.82 | 1 |
| C9 | 4 | 143.64 | 1 |
| C10 | 3 | 151.07 | 1 |
| C11 | A | 166.33 | 1 |
| C7 | AcC=O | 168.43 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.45 | 1 |
| C3 | AOMe | 52.45 | 1 |
| C2 | OMe | 56.40 | 1 |
| C6 | 2 | 113.96 | 1 |
| C4 | 6 | 123.05 | 1 |
| C5 | 5 | 123.85 | 1 |
| C8 | 1 | 129.67 | 1 |
| C9 | 4 | 144.81 | 1 |
| C10 | 3 | 152.30 | 1 |
| C11 | A | 166.53 | 1 |
| C7 | AcC=O | 168.59 | 1 |
| H18 | AcMe | 2.27 | 1 |
| H17 | AcMe | 2.27 | 1 |
| H19 | AcMe | 2.27 | 1 |
| H24 | AOMe | 3.89 | 1 |
| H25 | AOMe | 3.89 | 1 |
| H23 | AOMe | 3.89 | 1 |
| H20 | OMe | 3.88 | 1 |
| H21 | OMe | 3.88 | 1 |
| H22 | OMe | 3.88 | 1 |
| H28 | 2 | 7.65 | 1 |
| H27 | 5 | 7.18 | 1 |
| H26 | 6 | 7.63 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.33 | 1 |
| C3 | AOMe | 52.60 | 1 |
| C2 | OMe | 55.95 | 1 |
| C6 | 2 | 112.96 | 1 |
| C4 | 6 | 122.06 | 1 |
| C5 | 5 | 123.24 | 1 |
| C8 | 1 | 128.32 | 1 |
| C9 | 4 | 143.28 | 1 |
| C10 | 3 | 150.93 | 1 |
| C11 | A | 165.56 | 1 |
| C7 | AcC=O | 168.14 | 1 |